1-[(1R)-1-[2-chloro-5-(trifluoromethyl)phenyl]but-3-enyl]piperazine;dihydrochloride

C15H20Cl3F3N2 — CID 171292774

IUPAC1-[(1R)-1-[2-chloro-5-(trifluoromethyl)phenyl]but-3-enyl]piperazine;dihydrochloride
SMILESC=CC[C@H](c1cc(C(F)(F)F)ccc1Cl)N1CCNCC1.Cl.Cl
InChIInChI=1S/C15H18ClF3N2.2ClH/c1-2-3-14(21-8-6-20-7-9-21)12-10-11(15(17,18)19)4-5-13(12)16;;/h2,4-5,10,14,20H,1,3,6-9H2;2*1H/t14-;;/m1../s1
InChIKeyFZTNIYAPTHIBNT-FMOMHUKBSA-N
MW391.69 g/mol
LogP4.72
Rot. Bonds4

About 1-[(1R)-1-[2-chloro-5-(trifluoromethyl)phenyl]but-3-enyl]piperazine;dihydrochloride

1-[(1R)-1-[2-chloro-5-(trifluoromethyl)phenyl]but-3-enyl]piperazine;dihydrochloride (PubChem CID 171292774) has the molecular formula C15H20Cl3F3N2 and a molecular weight of 391.69 g/mol. Its IUPAC name is 1-[(1R)-1-[2-chloro-5-(trifluoromethyl)phenyl]but-3-enyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(1R)-1-[2-chloro-5-(trifluoromethyl)phenyl]but-3-enyl]piperazine;dihydrochloride
PubChem CID171292774
Molecular FormulaC15H20Cl3F3N2
Molecular Weight391.69 g/mol
Exact Mass390.06
IUPAC Name1-[(1R)-1-[2-chloro-5-(trifluoromethyl)phenyl]but-3-enyl]piperazine;dihydrochloride
SMILESC=CC[C@H](c1cc(C(F)(F)F)ccc1Cl)N1CCNCC1.Cl.Cl
InChIInChI=1S/C15H18ClF3N2.2ClH/c1-2-3-14(21-8-6-20-7-9-21)12-10-11(15(17,18)19)4-5-13(12)16;;/h2,4-5,10,14,20H,1,3,6-9H2;2*1H/t14-;;/m1../s1
InChIKeyFZTNIYAPTHIBNT-FMOMHUKBSA-N
XLogP4.72
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.69
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-[(1R)-1-[2-chloro-5-(trifluoromethyl)phenyl]but-3-enyl]piperazine;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(1R)-1-[2-bromo-5-(trifluoromethyl)phenyl]but-3-enyl]piperazine;dihydrochloride
CID 171291593
1-[(1S)-1-[2-bromo-5-(trifluoromethyl)phenyl]but-3-enyl]piperazine
CID 171165215
1-[(1R)-1-[2-chloro-5-(trifluoromethyl)phenyl]-3,3-difluoropropyl]piperazine;hydrochloride
CID 171177157
1-[(1S)-1-[2-chloro-5-(trifluoromethyl)phenyl]butyl]piperazine;hydrochloride
CID 171166433
1-[(1R)-1-[2-chloro-5-(trifluoromethyl)phenyl]-3-methylbut-3-enyl]piperazine;dihydrochloride
CID 171292792
1-[(1S)-1-[2-methoxy-4-(trifluoromethyl)phenyl]but-3-enyl]piperazine;dihydrochloride
CID 171284372
1-[(1S)-1-[2-chloro-5-(trifluoromethyl)phenyl]pentyl]piperazine;dihydrochloride
CID 171309341
1-[(1R)-1-(2-chlorophenyl)but-3-enyl]piperazine
CID 171294077
1-[(1S)-1-(2-chloro-4-fluorophenyl)but-3-enyl]piperazine;dihydrochloride
CID 171277022
(4S)-4-[2-chloro-5-(trifluoromethyl)phenyl]-4-piperazin-1-ylbutan-1-ol
CID 171174645
1-[(1S)-1-[4-[4-(trifluoromethyl)phenyl]phenyl]but-3-enyl]piperazine;hydrochloride
CID 171167114
1-[(1R)-1-(2-chloro-4-fluorophenyl)but-3-enyl]piperazine
CID 171169563

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-[2-chloro-5-(trifluoromethyl)phenyl]but-3-enyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(1R)-1-[2-chloro-5-(trifluoromethyl)phenyl]but-3-enyl]piperazine;dihydrochloride (CID 171292774) is 1-[(1R)-1-[2-chloro-5-(trifluoromethyl)phenyl]but-3-enyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(1R)-1-[2-chloro-5-(trifluoromethyl)phenyl]but-3-enyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(1R)-1-[2-chloro-5-(trifluoromethyl)phenyl]but-3-enyl]piperazine;dihydrochloride is C=CC[C@H](c1cc(C(F)(F)F)ccc1Cl)N1CCNCC1.Cl.Cl.
What is the InChIKey of 1-[(1R)-1-[2-chloro-5-(trifluoromethyl)phenyl]but-3-enyl]piperazine;dihydrochloride?
The InChIKey is FZTNIYAPTHIBNT-FMOMHUKBSA-N. The full InChI is InChI=1S/C15H18ClF3N2.2ClH/c1-2-3-14(21-8-6-20-7-9-21)12-10-11(15(17,18)19)4-5-13(12)16;;/h2,4-5,10,14,20H,1,3,6-9H2;2*1H/t14-;;/m1../s1.
What are the key properties of 1-[(1R)-1-[2-chloro-5-(trifluoromethyl)phenyl]but-3-enyl]piperazine;dihydrochloride?
1-[(1R)-1-[2-chloro-5-(trifluoromethyl)phenyl]but-3-enyl]piperazine;dihydrochloride has a molecular weight of 391.69 g/mol, XLogP of 4.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-[2-chloro-5-(trifluoromethyl)phenyl]but-3-enyl]piperazine;dihydrochloride is sourced from PubChem (CID 171292774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).